11,12-dimethoxy-5-methyl-9,13b-dihydro-8H-isoquinolino[2,1-c]quinazolin-6-one

C19H20N2O3 — CID 155805893

IUPAC11,12-dimethoxy-5-methyl-9,13b-dihydro-8H-isoquinolino[2,1-c]quinazolin-6-one
SMILESCOc1cc2c(cc1OC)C1c3ccccc3N(C)C(=O)N1CC2
InChIInChI=1S/C19H20N2O3/c1-20-15-7-5-4-6-13(15)18-14-11-17(24-3)16(23-2)10-12(14)8-9-21(18)19(20)22/h4-7,10-11,18H,8-9H2,1-3H3
InChIKeyHRIAOXGUJDBRSH-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.22
Rot. Bonds2

About 11,12-dimethoxy-5-methyl-9,13b-dihydro-8H-isoquinolino[2,1-c]quinazolin-6-one

11,12-dimethoxy-5-methyl-9,13b-dihydro-8H-isoquinolino[2,1-c]quinazolin-6-one (PubChem CID 155805893) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 11,12-dimethoxy-5-methyl-9,13b-dihydro-8H-isoquinolino[2,1-c]quinazolin-6-one.

Molecular Properties

Compound Name11,12-dimethoxy-5-methyl-9,13b-dihydro-8H-isoquinolino[2,1-c]quinazolin-6-one
PubChem CID155805893
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name11,12-dimethoxy-5-methyl-9,13b-dihydro-8H-isoquinolino[2,1-c]quinazolin-6-one
SMILESCOc1cc2c(cc1OC)C1c3ccccc3N(C)C(=O)N1CC2
InChIInChI=1S/C19H20N2O3/c1-20-15-7-5-4-6-13(15)18-14-11-17(24-3)16(23-2)10-12(14)8-9-21(18)19(20)22/h4-7,10-11,18H,8-9H2,1-3H3
InChIKeyHRIAOXGUJDBRSH-UHFFFAOYSA-N
XLogP3.22
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(13bS)-11,12-dimethoxy-6-oxo-9,13b-dihydro-8H-isoquinolino[2,1-c]quinazolin-5-yl]acetamide
CID 95802747
2-[(13bS)-11,12-dimethoxy-6-oxo-9,13b-dihydro-8H-isoquinolino[2,1-c]quinazolin-5-yl]-N-cyclopentylacetamide
CID 95802779
6,7-dimethoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline
CID 122227728
(13aR)-2,3-dimethoxy-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one
CID 821470
6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
CID 11022872
(3R)-3-[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]-3H-2-benzofuran-1-one
CID 15061641
15-methyl-3,13,15-triazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-2(10),4,6,8,16,18,20-heptaen-14-one
CID 155810534
2-[(1S)-6,7-dimethoxy-2-naphthalen-2-yl-3,4-dihydro-1H-isoquinolin-1-yl]cyclopent-2-en-1-one
CID 162397635
1-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 4869004
1-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenoxyethanone
CID 2442879
1-[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenoxyethanone
CID 2442883
6-(6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2H-1,2,4-triazine-3,5-dione
CID 3845070

Frequently Asked Questions

What is the IUPAC name of 11,12-dimethoxy-5-methyl-9,13b-dihydro-8H-isoquinolino[2,1-c]quinazolin-6-one?
The IUPAC name of 11,12-dimethoxy-5-methyl-9,13b-dihydro-8H-isoquinolino[2,1-c]quinazolin-6-one (CID 155805893) is 11,12-dimethoxy-5-methyl-9,13b-dihydro-8H-isoquinolino[2,1-c]quinazolin-6-one.
What is the SMILES notation for 11,12-dimethoxy-5-methyl-9,13b-dihydro-8H-isoquinolino[2,1-c]quinazolin-6-one?
The canonical SMILES for 11,12-dimethoxy-5-methyl-9,13b-dihydro-8H-isoquinolino[2,1-c]quinazolin-6-one is COc1cc2c(cc1OC)C1c3ccccc3N(C)C(=O)N1CC2.
What is the InChIKey of 11,12-dimethoxy-5-methyl-9,13b-dihydro-8H-isoquinolino[2,1-c]quinazolin-6-one?
The InChIKey is HRIAOXGUJDBRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-20-15-7-5-4-6-13(15)18-14-11-17(24-3)16(23-2)10-12(14)8-9-21(18)19(20)22/h4-7,10-11,18H,8-9H2,1-3H3.
What are the key properties of 11,12-dimethoxy-5-methyl-9,13b-dihydro-8H-isoquinolino[2,1-c]quinazolin-6-one?
11,12-dimethoxy-5-methyl-9,13b-dihydro-8H-isoquinolino[2,1-c]quinazolin-6-one has a molecular weight of 324.38 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-dimethoxy-5-methyl-9,13b-dihydro-8H-isoquinolino[2,1-c]quinazolin-6-one is sourced from PubChem (CID 155805893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).